2WEC
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-(1-NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXY PHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT
Replaces: 1WECExperimental procedure
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-05-06 |
| Detector | SIEMENS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.240, 46.630, 65.870 |
| Unit cell angles | 90.00, 115.94, 90.00 |
Refinement procedure
| Resolution | 37.000 - 1.500 |
| R-factor | 0.147 |
| Rwork | 0.141 |
| R-free | 0.20000 |
| Structure solution method | DIFFERENCE FOURIER METHOD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.345 |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.089 | 0.304 |
| Number of reflections | 39118 | |
| <I/σ(I)> | 27.28 | 2.3 |
| Completeness [%] | 91.7 | 69.82 |
| Redundancy | 5.26 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.4 | 0.1M NAC2H3O2 PH=4.4 35-40% SATURATED (NH4)2SO4 |
